Crystallography Open Database

Information card for entry 1559700

Preview

Coordinates	1559700.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H36 Cl4 N2 Pt
Calculated formula	C40 H36 Cl4 N2 Pt
SMILES	[Pt]1([n]2ccc(C(C)(C)C)cc2c2[n]1ccc(C(C)(C)C)c2)(C#Cc1ccc(cc1)C#C)C#Cc1ccc(cc1)C#C.ClC(Cl)C(Cl)Cl
Title of publication	Synthesis of Platinum-Containing Conjugated Polymers Bearing Optically Active Amide Groups: A Mechanistic Study of Chiral Aggregation
Authors of publication	Sotani, Taichi; Yajima, Tatsuo; Sogawa, Hiromitsu; Sanda, Fumio
Journal of publication	Macromolecules
Year of publication	2020
Journal volume	53
Journal issue	24
Pages of publication	11077 - 11088
a	20.3089 ± 0.0008 Å
b	14.9227 ± 0.0007 Å
c	24.4008 ± 0.001 Å
α	90°
β	90.684 ± 0.006°
γ	90°
Cell volume	7394.5 ± 0.5 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0547
Residual factor for significantly intense reflections	0.0425
Weighted residual factors for significantly intense reflections	0.0829
Weighted residual factors for all reflections included in the refinement	0.0866
Goodness-of-fit parameter for all reflections included in the refinement	1.0536
Diffraction radiation wavelength	0.710747 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
260435 (current)	2021-01-04	cif/ Updating files of 1559700 Original log message: Adding full bibliography for 1559700.cif.	1559700.cif
259478	2020-12-03	cif/ Adding structures of 1559700 via cif-deposit CGI script.	1559700.cif